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Equations of State and Phase Diagrams of Ammonia

Journal of Chemical Education, 2009
We present equations of state relating the phases and a three-dimensional phase diagram for ammonia with its solid, liquid, and vapor phases, based on fitted authentic experimental data and including recent information on the high-pressure solid phases.
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Equation of state, ionic structure, and phase diagram of warm dense krypton

Physical Review E, 2019
Extensive quantum molecular dynamics (QMD) simulations are performed to determine the equation of state, sound velocity, and phase diagram of middle-Z krypton in a warm dense regime where the pressure (P) is up to 300 GPa and the temperature is up to 60 kK. The shock wave experimental data are used to validate the present theoretical models.
Zhao-Qi Wang   +6 more
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Equation of state and phase diagram of dense hydrogen

Physics of the Earth and Planetary Interiors, 1972
The equation of state of hydrogen was calculated for specific volumes ranging from 0.01 to 0.0001 cm3/mole and for temperatures ranging from 200 to 1 million K. Three phases are considered: the molecular solid, the metallic solid and the fluid. Chemical equilibrium between molecules, atoms, ions and electrons is considered in calculating the properties
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Equations of state and phase diagrams of hydrogen isotopes

Journal of Experimental and Theoretical Physics, 2013
A new form of the semiempirical equation of state proposed for the liquid phase of hydrogen isotopes is based on the assumption that its structure is formed by cells some of which contain hydrogen molecules and others contain hydrogen atoms. The values of parameters in the equations of state of the solid (molecular and atomic) phases as well as of the ...
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Phase diagram and equations of state of BaSO4

High Pressure Research, 2001
Abstract The phase diagram and equations of state of BaSO4, were determined up to 29 GPa and 1000 K in a resistance-heating type diamond anvil cell. At room temperature, barite is the stable form of BaSO4 which undergoes a reversible phase transition at 10 GPa. The high-pressure form is tentatively determined to be triclinic.
Pei-Lun Lee, Eugene Huang, Shu-Cheng Yu
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The equation of state, amorphization, and high‐pressure phase diagram of muscovite

Journal of Geophysical Research: Solid Earth, 1994
The equation of state of (KAl3Si3O10(OH)2) muscovite has been measured to 20 GPa using X ray diffraction through the diamond anvil cell. The isothermal bulk modulus (K0T) of muscovite is 61.4 (±4.0) GPa with a pressure derivative of 6.9 (±1.4), in good agreement with Brillouin spectroscopic and shock wave measurements. Above 18 GPa at room temperature,
Jessica Faust, Elise Knittle
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Theoretical high-pressure equations of state and phase diagrams of the alkali metals

Journal of Non-Crystalline Solids, 1984
A two-parameter Heine-Abarenkov local pseudopotential is used to fit experimental room-temperature isotherms of lithium, sodium, and potassium up to pressures of 100 kbar. Lattice dynamics and one-component-plasma fluid variational theory are then used to compute solid-solid and solid-liquid phase boundaries, which are found to be in good agreement ...
David A. Young, Marvin Ross
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Equations of State and the Phase Diagram of Dielectric and Metallic Helium-4

Journal of Experimental and Theoretical Physics, 2018
A new form of the semiempirical equation of state for the liquid phase of helium-4 is proposed that is based on the assumption that the structure of this phase consists of a mixture of dielectric and metallic components. It is postulated that solid dielectric helium with density higher than 5.3 g/cm3 becomes a metal. The values of the parameters of the
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Equation of state and phase diagram of water at ultrahigh pressures as in planetary interiors

Physical Review B, 2009
We present QMD simulations of water in the ultra-high-pressure regime up to conditions typical for the deep interior of Jupiter and Saturn. We calculate the equation of state and the Hugoniot curve and study the structural properties via pair correlation functions and self-diffusion coefficients. In the ultradense superionic phase, we find a continuous
Martin French   +3 more
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Automatic generation of global phase equilibrium diagrams for binary systems from equations of state

Computers & Chemical Engineering, 2009
Abstract An automated and reliable procedure for systematic generation of global phase equilibrium diagrams (GPED) for binary systems is proposed. The approach utilizes equation of state, incorporates solid phase and is successful in generation of type VI phase diagram.
Keyur S. Patel, Aydin K. Sunol
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